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Procyanidin B3 as a Potential Inhibitor of Human Septin 9

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Abstract—Septin cytoskeletal proteins are involved in many cellular processes; changes in their expression are a marker of oncological diseases. In this regard, septins can be a potential target for the treatment of cancer cells. To search for new small molecules that affect the structural organization of septin filaments, a virtual screening of the PubChem database compound library was performed and a substance with the highest affinity, the flavonoid procyanidin B3, was selected among all the compounds. Molecular modeling showed that procyanidin B3 interacts with the septin monomer SEPT9 in the region of the G1 and G4 motifs, which are important for GTP binding, and prevents dimerization of septin monomers. Therefore, procyanidin B3 can be considered as a promising compound for affecting the structure of septin filaments in cancer cells.

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ACKNOWLEDGMENTS

This study was carried out using the equipment of the shared research facilities of HPC computing resources at Moscow State University [48].

Funding

This work was financially supported by the Russian Foundation for Basic Research (project no. 19-34-90178).

Author information

Authors and Affiliations

  1. Moscow State University, 119234, Moscow, Russia

    A. V. Vakhrusheva, A. V. Kudryavtsev, O. S. Sokolova & K. V. Shaitan

  2. Shenzhen MSU-BIT University, 518172, Shenzhen, Guangdong Province, China

    O. S. Sokolova

  3. Semenov Institute of Chemical Physics, Russian Academy of Sciences, 119991, Moscow, Russia

    K. V. Shaitan

Authors
  1. A. V. Vakhrusheva
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  2. A. V. Kudryavtsev
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  3. O. S. Sokolova
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  4. K. V. Shaitan
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Corresponding author

Correspondence to O. S. Sokolova.

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The authors declare that they have no conflicts of interest. This article does not contain any studies involving animals or human participants performed by any of the authors.

Additional information

Translated by D. Novikova

Abbreviations: GEF, guanine nucleotide exchange factor; RMSD, root-mean-square deviation.

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Vakhrusheva, A.V., Kudryavtsev, A.V., Sokolova, O.S. et al. Procyanidin B3 as a Potential Inhibitor of Human Septin 9. BIOPHYSICS 66, 887–896 (2021). https://doi.org/10.1134/S000635092106018X

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  • DOI: https://doi.org/10.1134/S000635092106018X

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